SCHEMBL191023

SCHEMBL191023

Cc1csc(Nc2cc(Oc3c(C)cccc3Cl)ccn2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.43
TRPV4 Q9HBA0 1/20 0.43
KCNN1 Q92952 1/20 0.42
KCNN2 Q9H2S1 1/20 0.42
KCNN3 Q9UGI6 1/20 0.42
GCK P35557 7/20 0.42
SLC2A1 P11166 1/20 0.42
TGFBR1 P36897 1/20 0.41
RAB9A P51151 6/20 0.41
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
NPC1 O15118 4/20 0.41
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL191171 0.94 GRM5 (0.45) GRM5TRPV4KCNN1KCNN2KCNN3
SCHEMBL190744 0.92 TRPV4 (0.47) GRM5TRPV4KCNN1KCNN2KCNN3
SCHEMBL191828 0.84 GCK (0.54) GRM5TRPV4KCNN1KCNN2KCNN3
SCHEMBL191689 0.83 GCK (0.52) GRM5TRPV4KCNN1KCNN2KCNN3
SCHEMBL190659 0.80 GCK (0.59) GRM5TRPV4KCNN1KCNN2KCNN3
SCHEMBL191592 0.80 TRPV4 (0.56) GRM5TRPV4KCNN1KCNN2KCNN3
SCHEMBL191025 0.79 GCK (0.51) GRM5TRPV4KCNN1KCNN2KCNN3
SCHEMBL191896 0.78 MAPK8 (0.41) RAB9AKMT2AMEN1NPC1ALDH1A1
Hydrochloric Acid SCHEMBL190962 0.77 MAPK8 (0.40) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL191056 0.77 TRPV4 (0.56) GRM5TRPV4KCNN1KCNN2KCNN3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1986645-B1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC (US) 2012-01-04 EP disclosed
CN-101437512-A Glucokinase activators ARRAY BIOPHARMA INC (US) 2009-05-20 CN disclosed